N-iodo-1-phenylethenamine

C8H8IN — CID 147371496

IUPACN-iodo-1-phenylethenamine
SMILESC=C(NI)c1ccccc1
InChIInChI=1S/C8H8IN/c1-7(10-9)8-5-3-2-4-6-8/h2-6,10H,1H2
InChIKeyDJEMBPMREZDBRK-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.60
Rot. Bonds2

About N-iodo-1-phenylethenamine

N-iodo-1-phenylethenamine (PubChem CID 147371496) has the molecular formula C8H8IN and a molecular weight of 245.06 g/mol. Its IUPAC name is N-iodo-1-phenylethenamine.

Molecular Properties

Compound NameN-iodo-1-phenylethenamine
PubChem CID147371496
Molecular FormulaC8H8IN
Molecular Weight245.06 g/mol
Exact Mass244.97
IUPAC NameN-iodo-1-phenylethenamine
SMILESC=C(NI)c1ccccc1
InChIInChI=1S/C8H8IN/c1-7(10-9)8-5-3-2-4-6-8/h2-6,10H,1H2
InChIKeyDJEMBPMREZDBRK-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-phenylethenylcarbamic acid
CID 70424061
4-phenylpenta-1,4-dien-2-ylbenzene
CID 102571838
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
3-phenylbut-3-enoic acid
CID 10702134
(1R)-1-phenyl-N-(1-phenylethenyl)ethanamine
CID 89302645
CID 67882804
CID 67882804
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenacyl
CID 11123355
methane;molecular hydrogen;N-(1-phenylethenyl)acetamide
CID 159750182
N'-(1-phenylethenyl)thiophene-2-carbohydrazide
CID 2715132
prop-1-en-2-ylbenzene;silane
CID 174724970

Frequently Asked Questions

What is the IUPAC name of N-iodo-1-phenylethenamine?
The IUPAC name of N-iodo-1-phenylethenamine (CID 147371496) is N-iodo-1-phenylethenamine.
What is the SMILES notation for N-iodo-1-phenylethenamine?
The canonical SMILES for N-iodo-1-phenylethenamine is C=C(NI)c1ccccc1.
What is the InChIKey of N-iodo-1-phenylethenamine?
The InChIKey is DJEMBPMREZDBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN/c1-7(10-9)8-5-3-2-4-6-8/h2-6,10H,1H2.
What are the key properties of N-iodo-1-phenylethenamine?
N-iodo-1-phenylethenamine has a molecular weight of 245.06 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-1-phenylethenamine is sourced from PubChem (CID 147371496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).